Information card for entry 8105935

Structure parameters

• Formula: C11 H28 Br2 N2 O2
• Calculated formula: C11 H28 Br2 N2 O2
• SMILES: [Br-].[Br-].[N+](CCC[N+](CCO)(C)C)(CCO)(C)C
• Title of publication: Crystal structure of N 1,N 3-bis(2-hydroxyethyl)-N 1, N 1,N 3,N 3-tetramethylpropane-1,3-diaminium dibromide, C11H28Br2N2O2
• Authors of publication: Su, Chang-Ming; Wang, Chun-Hua; Hou, Gui-Ge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1055 - 1057
• a: 12.0519 ± 0.0011 Å
• b: 12.667 ± 0.0012 Å
• c: 12.9161 ± 0.0012 Å
• α: 117.088 ± 0.003°
• β: 92.459 ± 0.001°
• γ: 108.199 ± 0.002°
• Cell volume: 1627.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No